Drug General Information
Drug ID
D04PBH
Former ID
DNC013595
Drug Name
CONTIGOSIDE B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551347]
Structure
Download
2D MOL

3D MOL

Formula
C21H20O12
Canonical SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O<br />4)CO)O)O)O)O)O
InChI
1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
InChIKey
OVSQVDMCBVZWGM-QSOFNFLRSA-N
PubChem Compound ID
Target and Pathway
Target(s) Aldose reductase Target Info Inhibitor [534149]
Angiotensin-converting enzyme Target Info Inhibitor [551347]
BioCyc Pathway Methylglyoxal degradation III
Acetone degradation I (to methylglyoxal)
KEGG Pathway Pentose and glucuronate interconversions
Fructose and mannose metabolism
Galactose metabolism
Glycerolipid metabolism
Metabolic pathwayshsa04614:Renin-angiotensin system
Chagas disease (American trypanosomiasis)
Hypertrophic cardiomyopathy (HCM)
NetPath Pathway IL1 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
PathWhiz Pathway Fructose and Mannose Degradation
Pyruvate Metabolism
Pterine Biosynthesis
Glycerolipid Metabolism
Galactose MetabolismPW000563:Angiotensin Metabolism
Reactome Metabolism of Angiotensinogen to Angiotensins
WikiPathways Metapathway biotransformation
Polyol Pathway
Metabolism of steroid hormones and vitamin DWP554:ACE Inhibitor Pathway
Metabolism of Angiotensinogen to Angiotensins
References
Ref 551347Inhibitory effects of various flavonoids isolated from leaves of persimmon on angiotensin-converting enzyme activity. J Nat Prod. 1987 Jul-Aug;50(4):680-3.
Ref 534149J Nat Prod. 1996 Apr;59(4):443-5.Effect of Polygonum hydropiper sulfated flavonoids on lens aldose reductase and related enzymes.
Ref 551347Inhibitory effects of various flavonoids isolated from leaves of persimmon on angiotensin-converting enzyme activity. J Nat Prod. 1987 Jul-Aug;50(4):680-3.

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